Abstract
The crystal and molecular structure of cyclopentadienyl-carbonyl-triphenylphosphine-methoxy-acetyl-iron (2) has been determined by X-ray. The crystals are monoclinic:P21/n,Z=4,α=7.881(1),b=19.111(3),c=15.271(2) Å andβ=93.44(1)°. The structure was solved by direct methods, and refined anisotropically by full-matrix least-squares against 3419 independent reflections, givingR=0.0446. Molecular mechanics calculations reproduce satisfactorily the X-ray structure.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Allinger, N. L. (1986) Program MMX-86.1 Strain energy calculation. (Univ. of Georgia). Program distributed through QCPE (No. 395).
Baird, G. J., Bandy, J. A., Davies, S. G., and Prout, K. (1983)J. Chem. Soc. Chem. Commun. 1202.
Bibler, J. P., and Wojcicki, A. (1966)Inorg. Chem. 5, 889.
Blystone, S. L. (1989)Chem. Rev. 89, 1663.
Bodnar, T., Coman, G., LaCroce, S., Lambert, C., Menard, K. P., and Cutler, A. R. (1981)J. Amer. Chem. Soc. 103, 2471.
Brown, S. L., Davies, S. G., Warner, P., Jones, R. H., and Prout, K. (1985)J. Chem. Soc. Chem. Commun. 1446.
Cahn, R. S., Ingold, C. K.. and Prelog, V. (1966)Angew. Chem. 78, 413.
Cayon, R. J., MacLeod, J. K., Coote, S. J., Davies, S. G., Grawatt, G. L., Dordor-Hedgecock, I. M., and Whittaker, M. (1988)Tetrahedron 44, 1637.
Crawford, E. J., Lambert, C., Menard, K. P., and Cutler, A. R. (1985)J. Amer. Chem. Soc. 107, 3130.
Davies, S. G. (1988)Pure Appl. Chem. 60, 13.
Davies, S. G., Dordor-Hedgecock, I. M., Sutton, K. H., Walker, J. C., Bourne, Ch., Jones, R. H., and Prout, K. (1986a)J. Chem. Soc. Chem. Commun. 607.
Davies, S. G., Dordor-Hedgecock, I. M., Sutton, K. H., Walker, J. C., Jones, R. H., and Prout, K. (1986b)Tetrahedron 42, 5123.
Davies, S. G., Dordor-Hedgecock, I. M., Warner, P. Jones, R. H., and Prout, K. (1985)J. Organometal. Chem. 285, 213.
Davies, S. G., and Seeman, J. I. (1984)Tetrahedron Lett. 25, 1845.
Flood, T. C., DiSanti, F. J., and Miles, D. L. (1976)Inorg. Chem. 15, 1910.
Green, M., and Westlake, D. J. (1971)J. Chem. Soc. Sect. A, 367.
Guo Zhong-Wu and Zamojski, A. (1990) In preparation.
International Tables for X-Ray Crystallography (1976) Vol. IV (Kynoch Press, Birmingham, England).
Liebeskind, L. S., Welker, M. E., and Fengl, R. W. (1986)J. Amer. Chem. Soc. 108, 6328.
Pollack, R. M. (1989)Tetrahedron 45, 4913.
Semyon, V. A., and Struchkov, Y. T. (1969)Zh. Strukt. Khim. 10, 664; CA71, 117377k.
Sheldrick, G. M. (1976)Shelx-76.Program for crystal structure determination and refinement (University of Cambridge, England). 400-Atomic Version (Ch. Weizman Institute of Science, Rehovot, Israel, 1979); implemented on IBM PC/AT (1987).
Sheldrick, G. M. (1985) Sheldrick, G. M. Krüger, C., and Goddard, R. (eds.),Crystallographic Computing 3. (Oxford University Press), pp. 175–189.
Walker, N., and Stuart, D. (1983)Acta Crystallogr. A 39, 158.
Author information
Authors and Affiliations
Additional information
On leave from the Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, China.
Rights and permissions
About this article
Cite this article
Krajewski, J.W., Gluziński, P., Zamojski, A. et al. X-ray structural and molecular mechanics investigations of cyclopentadienyl-carbonyl-triphenylphosphine-methoxyacetyl-iron (η5-C5H5)Fe(CO)(PPh3)(COCH2OMe). Journal of Crystallographic and Spectroscopic Research 21, 271–275 (1991). https://doi.org/10.1007/BF01156077
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01156077